N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H24F4N6OS — CID 126710488

About N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 126710488) has the molecular formula C25H24F4N6OS and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 126710488
• Molecular Formula: C25H24F4N6OS
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.17
• IUPAC Name: N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1cn2c(C(=O)NCc3ccc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c(F)c3)c(C)nc2s1
• InChI: InChI=1S/C25H24F4N6OS/c1-15-14-35-22(16(2)32-24(35)37-15)23(36)31-12-17-3-5-20(19(26)11-17)33-7-9-34(10-8-33)21-6-4-18(13-30-21)25(27,28)29/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,31,36)
• InChIKey: ASFSSFKGMZFNCS-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 126710488) is N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3ccc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c(F)c3)c(C)nc2s1.

What is the InChIKey of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is ASFSSFKGMZFNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6OS/c1-15-14-35-22(16(2)32-24(35)37-15)23(36)31-12-17-3-5-20(19(26)11-17)33-7-9-34(10-8-33)21-6-4-18(13-30-21)25(27,28)29/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,31,36).

What are the key properties of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 126710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).